SCHEMBL3197825

SCHEMBL3197825

Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCCCN1CCOCC1)CO2

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ TP53 P04637 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ PKM P14618 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3187264 0.95 CYP2C9 (0.63) MEN1KMT2ACYP1A2CYP2C9TP53
SCHEMBL3195407 0.93 MEN1 (0.63) MEN1KMT2ACYP1A2CYP2C9TP53
SCHEMBL3185841 0.93 MEN1 (0.63) MEN1KMT2ACYP1A2CYP2C9TP53
SCHEMBL5353148 0.91 MEN1 (0.61) MEN1KMT2ACYP1A2CYP2C9TP53
SCHEMBL3201387 0.88 TP53 (0.55) MEN1KMT2ATP53POLBALDH1A1
SCHEMBL3198494 0.86 KMT2A (0.59) MEN1KMT2ACYP1A2CYP2C9TP53
SCHEMBL3193731 0.85 MEN1 (0.56) MEN1KMT2ACYP1A2CYP2C9TP53
SCHEMBL3197498 0.84 KMT2A (0.61) MEN1KMT2ACYP1A2CYP2C9TP53
SCHEMBL3185487 0.83 KMT2A (0.59) MEN1KMT2ACYP1A2CYP2C9TP53
SCHEMBL3189962 0.82 MEN1 (0.68) MEN1KMT2ACYP1A2CYP2C9TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671069-B2 Tricyclic, heteroaromatic compounds modulating CXCR4 and/ or CXCR7 CHEMOCENTRYX, INC. (US) 2010-03-02 — — US disclosed
US-20070254915-A1 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-11-01 — — US disclosed
WO-2007115232-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070254915-A1 CXCR4 MODULATORS CXCL12, CXCR4, CXCR1 MEN1 4362/4885KMT2A 3838/4885CYP1A2 4310/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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